smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873185	560191103	/nfs/dbraw/zinc/19/11/03/560191103.db2.gz	WINFHLHJTRGLCV-SQNIBIBYSA-N	1	3	437.541	-0.426	1	0	in-vitro	IBAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873186	560191152	/nfs/dbraw/zinc/19/11/52/560191152.db2.gz	WINFHLHJTRGLCV-FGTMMUONSA-N	1	3	437.541	-0.426	1	0	in-vitro	IBAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873187	560191182	/nfs/dbraw/zinc/19/11/82/560191182.db2.gz	WINFHLHJTRGLCV-KURKYZTESA-N	1	3	437.541	-0.426	1	0	in-vitro	IBAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873188	560191132	/nfs/dbraw/zinc/19/11/32/560191132.db2.gz	WINFHLHJTRGLCV-KZNAEPCWSA-N	1	3	437.541	-0.426	1	0	in-vitro	IBAFHO
CN(C(=O)C[C@@H](N)CCCNC(N)=[NH2+])[C@@H]1CNC(Nc2ccc3ccccc3n2)=NC1=O	ZINC000026579319	563034104	/nfs/dbraw/zinc/03/41/04/563034104.db2.gz	XOHLVWHGJIEQAS-GOEBONIOSA-N	1	3	439.524	-0.060	1	0		IBAFHO
CN(C(=O)C[C@@H](N)CCCNC(N)=[NH2+])[C@H]1CNC(Nc2ccc3ccccc3n2)=NC1=O	ZINC000026579320	563034139	/nfs/dbraw/zinc/03/41/39/563034139.db2.gz	XOHLVWHGJIEQAS-HOCLYGCPSA-N	1	3	439.524	-0.060	1	0		IBAFHO
CC(=O)OC[C@H](CN(C)C/C=C\C[NH3+])O[C@@H](COC(C)=O)n1cnc2c1ncnc2N	ZINC000027558230	563043900	/nfs/dbraw/zinc/04/39/00/563043900.db2.gz	KEGIFUSUEAJRGQ-UDLYIEAKSA-N	1	3	435.485	-0.135	1	0		IBAFHO
CC(=O)OC[C@@H](CN(C)C/C=C\C[NH3+])O[C@@H](COC(C)=O)n1cnc2c1ncnc2N	ZINC000027558231	563043934	/nfs/dbraw/zinc/04/39/34/563043934.db2.gz	KEGIFUSUEAJRGQ-MSNYOWOLSA-N	1	3	435.485	-0.135	1	0		IBAFHO
CC(=O)O[C@@H]1[C@H](CN(C)C/C=C\C[NH3+])O[C@@H](n2cnc3c2ncnc3N)[C@H]1OC(C)=O	ZINC000027559322	563044091	/nfs/dbraw/zinc/04/40/91/563044091.db2.gz	ZIZMOTPTRQWNLN-MQPODOIESA-N	1	3	433.469	-0.384	1	0		IBAFHO
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2cnc3c2ncnc3N)O[C@H]1CN(C)C/C=C\C[NH3+]	ZINC000040743097	563106162	/nfs/dbraw/zinc/10/61/62/563106162.db2.gz	ZIZMOTPTRQWNLN-JUJVOYOSSA-N	1	3	433.469	-0.384	1	0		IBAFHO
CC(=O)OC[C@@H](CN(C)C/C=C\C[NH3+])O[C@H](COC(C)=O)n1cnc2c1ncnc2N	ZINC000058648554	563145924	/nfs/dbraw/zinc/14/59/24/563145924.db2.gz	KEGIFUSUEAJRGQ-KSLSASGISA-N	1	3	435.485	-0.135	1	0		IBAFHO
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095575062	563185525	/nfs/dbraw/zinc/18/55/25/563185525.db2.gz	ZVGJPQMEEYQNAU-ULQDDVLXSA-N	1	3	433.557	-0.679	1	0		IBAFHO